In the study of antlfolate quinazoline compounds using the method of CoMFA (comparative of molecular field analysis) , the introduction of the physical-chemical constants correlated to the structures of the compounds has been tried lor setting up the CoMFA model. The inhibitory activities of four new compounds have been predicted by the model The observation of the practical activities of two compounds among them shows that the observed activities are close to the predicted ones The reliability of the obtained CoMFA model has been preliminarily tested and verified